1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene

C13H7Cl4F — CID 81461610

IUPAC1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
SMILESFc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C13H7Cl4F/c14-7-4-5-10(15)9(6-7)12(16)8-2-1-3-11(18)13(8)17/h1-6,12H
InChIKeyUAPHNICXBZDSLK-UHFFFAOYSA-N
MW324.01 g/mol
LogP6.11
Rot. Bonds2

About 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene

1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene (PubChem CID 81461610) has the molecular formula C13H7Cl4F and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
PubChem CID81461610
Molecular FormulaC13H7Cl4F
Molecular Weight324.01 g/mol
Exact Mass321.93
IUPAC Name1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
SMILESFc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C13H7Cl4F/c14-7-4-5-10(15)9(6-7)12(16)8-2-1-3-11(18)13(8)17/h1-6,12H
InChIKeyUAPHNICXBZDSLK-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.01
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 63436330
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63436291
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1-bromo-4-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-5-fluorobenzene
CID 105399590
2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
CID 81461295
2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
CID 55199949
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene (CID 81461610) is 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene is Fc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1Cl.
What is the InChIKey of 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene?
The InChIKey is UAPHNICXBZDSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4F/c14-7-4-5-10(15)9(6-7)12(16)8-2-1-3-11(18)13(8)17/h1-6,12H.
What are the key properties of 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene?
1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene has a molecular weight of 324.01 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene is sourced from PubChem (CID 81461610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).